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61c4953119
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update log files
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2022-12-01 00:55:29 -05:00 |
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deb4684d26
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Update README
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2022-12-01 00:14:11 -05:00 |
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bf07ccba77
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Update documentation
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2022-12-01 00:11:21 -05:00 |
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fd13fe1e9a
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Add basename feature to output files and removed existing files
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2022-11-30 22:34:42 -05:00 |
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b7034e0380
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update log files with updated coeff data
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2022-11-30 21:27:01 -05:00 |
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3333bdd5b9
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update data without excess precision
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2022-11-30 21:22:08 -05:00 |
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793987e0c3
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replace planar logs
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2022-12-01 11:48:26 +10:00 |
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a733e4ddf9
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replace au-aq logs
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2022-12-01 11:46:51 +10:00 |
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c7300f47b1
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replace logs for graph-il
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2022-12-01 11:17:49 +10:00 |
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26ecd2a9b0
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update ML-POD example and include log files
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2022-11-30 19:26:31 -05:00 |
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0997842bf7
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add back symlinks
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2022-11-30 19:23:09 -05:00 |
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13d1ce38d2
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remove copies
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2022-11-30 19:22:59 -05:00 |
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6966a0726b
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remove redundant files and recreate logs
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2022-11-30 19:17:40 -05:00 |
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e5b1b29912
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Merge branch 'develop' into pod-updates
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2022-11-30 13:25:32 -05:00 |
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6c3ebc19b7
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Merge branch 'develop' into gran-temp
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2022-11-30 08:54:19 -05:00 |
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362739a337
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Move examples to lammps/examples/PACKAGES/pod and rename source files
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2022-11-29 20:06:04 -05:00 |
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5de185e89b
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Allow name tag for output files
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2022-11-29 14:43:55 -05:00 |
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e1d1c72d94
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update example to conform to LAMMPS conventions
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2022-11-28 15:04:38 -05:00 |
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3b56d5e9b1
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Update for documentation, change percentage to fraction, and fix some printing issues in fitpod_command
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2022-11-28 11:03:18 -05:00 |
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a3f1c25537
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Merge branch 'develop' into merge-develop
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2022-11-28 09:16:50 +01:00 |
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ccffe80b8d
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update MPI functionality for fitpod command
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2022-11-28 01:09:36 -05:00 |
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234725a9fb
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Update MPI functionality for quadratic POD
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2022-11-27 22:22:52 -05:00 |
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32a3fc21bc
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enable symm for conq and thermo
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2022-11-27 23:46:00 +00:00 |
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ee5b021c57
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Update MLPOD's documentation and changed example folder name from pod to mlpod
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2022-11-27 11:14:21 -05:00 |
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0f05f8650b
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Merge branch 'fix_sph_example' of github.com:timteichmann/lammps into collected-small-changes
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2022-11-23 09:29:54 -05:00 |
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3a49b69dee
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Fix SPH shock tube 2d example input deck
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2022-11-23 15:14:12 +01:00 |
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e2d6bb0c31
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Merge branch 'develop' into pod-updates
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2022-11-22 18:32:20 -05:00 |
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e165607710
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Remove unnecessary functions and variables from pairstyle
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2022-11-22 08:45:43 -07:00 |
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5424344dc6
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Forward declare podptr in fitpod header
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2022-11-20 09:56:37 -07:00 |
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7d31793460
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Use mlpod instead of pod
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2022-11-20 09:42:05 -07:00 |
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143147e7b9
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Use lammps memory allocation everywhere
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2022-11-20 09:41:36 -07:00 |
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33356aebcf
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update pod.txt
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2022-11-20 11:40:33 -05:00 |
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50d3f88705
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Update fitpod command
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2022-11-19 22:05:54 -05:00 |
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4b71ceeb92
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Merge branch 'pod' of https://github.com/cesmix-mit/lammps into pod
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2022-11-19 21:09:12 -05:00 |
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a0879cf923
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pod fit
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2022-11-19 21:09:08 -05:00 |
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d8169b02ff
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Use lammps memory class in pair_pod
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2022-11-19 16:37:27 -07:00 |
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f51ab2c440
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Restarting limit_damping, other minor simplifications/cleanups
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2022-11-16 16:36:22 -07:00 |
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1464b55f81
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add symbolic links for data file for FEP examples
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2022-11-15 17:07:02 -05:00 |
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af36dc3df0
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Style changes, alphabetize headers, cleaner READMEs
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2022-11-08 09:25:26 -07:00 |
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a62defa8ad
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Merge branch 'pod' of https://github.com/cesmix-mit/lammps into pod
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2022-11-08 11:03:48 -05:00 |
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f18295bb51
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Ta example
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2022-11-08 11:02:44 -05:00 |
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64c9f7ffed
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Merge branch 'develop' into electrode
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2022-11-08 09:46:56 +01:00 |
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da929b4f7f
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Fix merge conflicts
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2022-11-07 17:37:50 -07:00 |
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09bcb02145
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Clean up example
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2022-11-07 17:17:48 -07:00 |
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f8c90c2674
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Read coefficients with lammps utils
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2022-11-05 12:10:13 -06:00 |
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bd5ea1b896
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add MS-MPI support to ML-PACE plugin and demo plugins
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2022-11-04 23:32:40 -04:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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4dcf8c99de
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Merge branch 'develop' into gran-temp
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2022-11-02 19:53:27 -04:00 |
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f8b29e09cd
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Merge branch 'lammps:develop' into compute-pace
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2022-11-02 14:10:53 -06:00 |
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076f55dbca
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Update Ta example
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2022-11-02 09:20:20 -04:00 |
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